SCHEMBL6891812

SCHEMBL6891812

O=C(O)/C=C\C(=O)NCCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
TAAR1 Q96RJ0 5/20 1.00
MMP1 P03956 3/20 0.71
MMP2 P08253 3/20 0.71
MMP9 P14780 3/20 0.71
POLB P06746 1/20 0.71
RECQL P46063 1/20 0.71
LMNA P02545 2/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
HPGD P15428 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
MAPT P10636 1/20 0.61
NLRP3 Q96P20 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4017350 1.00 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL4017341 1.00 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL11124846 0.90 TAAR1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL30764053 0.88 TAAR1 (0.91) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL15431342 0.85 TAAR1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL15494538 0.85 TAAR1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL23252471 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL10711293 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL10843414 0.84 ALDH1A1 (0.73) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL28891887 0.83 MMP1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US claimed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US claimed
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US disclosed
US-11459418-B2 Quadripolymer based on host-guest interaction and preparation process thereof SOUTHWEST PETROLEUM UNIVERSITY (CN) 2022-10-04 US disclosed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US disclosed
US-20200332043-A1 A QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION PROCESS THEREOF SOUTHWEST PETROLEUM UNIVERSITY (CN) 2020-10-22 US disclosed
WO-2020093445-A1 QUADRIPOLYMER BASED ON HOST-GUEST INTERACTION AND PREPARATION METHOD THEREFOR 西南石油大学 2020-05-14 WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed